Crystal and molecular structure of 8a-bromo-1,2,3,5,6,7,8,8a-octahydro-1,3-dioxoisoquinoline-4-carbonitrile
Abstract
The crystal structure of the title compound has been determined by the heavy-atom method from 1 113 observed three-dimensional photographic data. Crystals are monoclinic with a= 17.05, b= 7.11, c= 17.10 Å(all ±0.02 Å), β= 89.0 (0.2)°, space group C2/c, with Z= 8. The structure was refined by block-diagonal least-squares to R 0.098. There is an intermolecular hydrogen bond of the N–H ⋯ O type. The cyclohexane portion of the molecule adopts a slightly distorted chair conformation.